Geometry & MOs

Info

ID:

115079

PubChem CID:

50508287

Reduced:

Cl2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-125.84

Dipole, Da:

9.91

IP(EA), eV:

 -8.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations